Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.40 |
| ▸ | YAP1 | P46937 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 7/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11083041 | 0.85 | CA2 (0.44) | CA2YAP1CA1GAA | |
| SCHEMBL11074785 | 0.83 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11074855 | 0.81 | NPSR1 (0.41) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11078370 | 0.80 | CA1 (0.44) | CA2CA1 | |
| SCHEMBL11086834 | 0.75 | NPSR1 (0.36) | GAANPSR1 | |
| SCHEMBL11078367 | 0.70 | CA12 (0.48) | CA2CA1 | |
| SCHEMBL11083674 | 0.70 | KMT2A (0.48) | ALDH1A1 | |
| SCHEMBL7290224 | 0.69 | LMNA (0.44) | — | |
| SCHEMBL11084757 | 0.69 | — | — | |
| SCHEMBL7286178 | 0.69 | MEN1 (0.46) | ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4440941-A | Aroyl-aminoacids, amides and esters thereof | USV PHARMACEUTICAL CORPORATION (US) | 1984-04-03 | — | — | US | disclosed |